(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol

C13H15F3N2O — CID 15893171

IUPAC(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
SMILESOC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19,11-6-2-1-3-7-11)10-17-18-8-4-5-9-18/h1-3,6-7,10,19H,4-5,8-9H2/b17-10+
InChIKeyKJVMOXZLLWZKLL-LICLKQGHSA-N
MW272.27 g/mol
LogP2.52
Rot. Bonds3

About (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol

(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol (PubChem CID 15893171) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
PubChem CID15893171
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
SMILESOC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(19,11-6-2-1-3-7-11)10-17-18-8-4-5-9-18/h1-3,6-7,10,19H,4-5,8-9H2/b17-10+
InChIKeyKJVMOXZLLWZKLL-LICLKQGHSA-N
XLogP2.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
CID 134987510
(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine
CID 10613190
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
1-[2-[(E)-(dimethylhydrazinylidene)methyl]cyclopenten-1-yl]-1-phenylethanol
CID 134867566
(3E)-1,1,1-trifluoro-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2-phenylpropan-2-ol
CID 10567403
(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10571562
(3E)-1,1,1-trifluoro-3-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-2-phenylpropan-2-ol
CID 10595452
(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 10658062
(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
CID 10825220
(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10832478
(E)-2-phenylmethoxy-N-pyrrolidin-1-yl-2-(trifluoromethyl)nonan-1-imine
CID 10833916
(E)-2-benzyl-3,3,3-trifluoro-2-methoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10851756

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The IUPAC name of (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol (CID 15893171) is (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol.
What is the SMILES notation for (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The canonical SMILES for (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol is OC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The InChIKey is KJVMOXZLLWZKLL-LICLKQGHSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12(19,11-6-2-1-3-7-11)10-17-18-8-4-5-9-18/h1-3,6-7,10,19H,4-5,8-9H2/b17-10+.
What are the key properties of (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol has a molecular weight of 272.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol is sourced from PubChem (CID 15893171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).